SCHEMBL5237456

SCHEMBL5237456

Cc1ccc(N2CCCNCC2)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.62
ALDH1A1 P00352 7/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 1/20 0.61
RECQL P46063 1/20 0.59
POLB P06746 3/20 0.59
HPGD P15428 2/20 0.58
ADRB1 P08588 2/20 0.55
HTR6 P50406 2/20 0.54
SIRT6 Q8N6T7 1/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
HTT P42858 2/20 0.52
CYP2C9 P11712 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2921548 0.94 MAPT (0.65) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL5202277 0.89 HPGD (0.74) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL27518071 0.87 HPGD (0.74) MAPTALDH1A1SMN1; SMN2MAPK1HPGD
SCHEMBL1920553 0.83 HPGD (0.73) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
Hydrochloric Acid SCHEMBL22634512 0.82 HPGD (0.71) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL30307826 0.81 MAPT (0.75) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL28954967 0.81 MAPT (0.75) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL2202741 0.81 ALDH1A1 (0.78) MAPTALDH1A1SMN1; SMN2MAPK1RECQL
SCHEMBL5231120 0.79 ADRB1 (0.86) ADRB1
SCHEMBL30900326 0.79 SIRT6 (0.67) MAPTALDH1A1MAPK1HPGDHTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 MAPT 4452/4885ALDH1A1 1073/4885SMN1; SMN2 1957/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.